CID 609369

2,3-naphthobarrelene

Structural Information

Molecular Formula
C16H12
SMILES
C1=CC=C2C=C3C4C=CC(C3=CC2=C1)C=C4
InChI
InChI=1S/C16H12/c1-2-4-14-10-16-12-7-5-11(6-8-12)15(16)9-13(14)3-1/h1-12H
InChIKey
FSVHOWXJQOZKEV-UHFFFAOYSA-N
Compound name
tetracyclo[10.2.2.02,11.04,9]hexadeca-2,4,6,8,10,13,15-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0939 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.101176 139.2
[M+Na]+ 227.083118 145.9
[M-H]- 203.086624 140.5
[M+NH4]+ 222.127723 163.4
[M+K]+ 243.057058 140.6
[M+H-H2O]+ 187.091160 131.9
[M+HCOO]- 249.092101 153.7
[M+CH3COO]- 263.107751 151.0
[M+Na-2H]- 225.068566 153.3
[M]+ 204.09335142 141.4
[M]- 204.09444858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.